Chemistry Journal of Moldova

2025 Volume 20, no.1

Author(s):

Ibraheem Olusola Ayeni and Toyese Oyegoke


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2025 Volume 20, no.1
Pages: 86-94
Keywords: adsorption, modelling, density functional theory, 2D material, metal doping effect, graphene, molecular simulation.
Full Text (PDF): Download
 
https://doi.org/10.19261/cjm.2025.1264
 
Graphycal Abstract: The impact of doping graphene with metals like Cu, Al, and Mn on its adsorption strength for arsenic (As) was computationally explored for industrial wastewater treatment. The results show that doped graphene outperforms undoped graphene, suggesting that doping can enhance the adsorptive properties of graphene for As removal.


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